Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000004
Common NameN-linolenoyl-glutamine
Systematic NameN-(9Z,12Z,15Z-octadecatrienoyl)-glutamine
Synonyms-
Exact Mass
406.2832 (neutral)    Calculate m/z:
FormulaC23H38N2O4
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)5470079
InChIKeyFEFAAEYMDHYUFL-IWFQAGGASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28
)29)18-19-21(24)26/h3-4,6-7,9-10,20H,2,5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,
29)/b4-3-,7-6-,10-9-/t20-/m0/s1
SMILESC(CCCCCCC/C=CC/C=CC/C=CCC)(=O)N[C@@]([H])(CCC(N)=O)C(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
447.78Topological Polar
Surface Area
109.49Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.70Molar
Refractivity
117.77